Information card for entry 2216549

Structure parameters

• Chemical name: Aqua(6-nitro-1H-benzimidazole)(oxydiacetato)copper(II)
• Formula: C11 H11 Cu N3 O8
• Calculated formula: C11 H11 Cu N3 O8
• SMILES: [Cu]12(OC(=O)C[O]1CC(=O)O2)([OH2])[n]1c[nH]c2ccc(N(=O)=O)cc12
• Title of publication: Aqua(5-nitro-1<i>H</i>-benzimidazole)(oxydiacetato)copper(II)
• Authors of publication: Zhang, Wan-Ju; Li, Yan-Tuan; Wu, Zhi-Yong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: m2962 - m2963
• a: 6.961 ± 0.003 Å
• b: 9.19 ± 0.004 Å
• c: 11.691 ± 0.005 Å
• α: 68.694 ± 0.005°
• β: 87.316 ± 0.005°
• γ: 84.623 ± 0.005°
• Cell volume: 693.6 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0419
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.075
• Weighted residual factors for all reflections included in the refinement: 0.082
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes